Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
-MA-KFGF-LSVLEEELDKH-LQYDFAMDWDKKNHTVEVTFILEAQNSSAIETVDDQGETSSEDIVFEDYVLFYNPVKSRFDAEDYLVTIPYEPKKGLSREFLAYFAETLNEVATEGLSDLMDFLTDDSIEEFGLSWDTDAFEN-GRAE--LKETEFYPYPRY
3NAT Chain:A ((1-163))
SNAMKKATMLTYLEEQLEKHLGDYEVGLDWDRKNHTIEVIVRLYAENNEQVAIDD------VEFIEFEDGLLFYNPQKSVVDDEEYLVTIPYEGKKGLRKAVLDGFIHYLKVVLDEGQSDLLDFLSDETAEVFELHWEPADFEAMIKKVAETEKEQWIAYPS-
General information:
TITO was launched using:
RESULT:
Template:
3NAT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80644 for 985 contacts (-81.9/contact) +
2D Compatibility (PS) -16230 + (NN) -7428 + (LL) 92
1D Compatibility (HY) -11600 + (ID) 3500
Total energy: -119310.0 ( -121.13 by residue)
QMean score : 0.648
(partial model without unconserved sides chains):
PDB file :
Tito_3NAT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NAT-query.scw
PDB file :
Tito_Scwrl_3NAT.pdb
: